Chemical Properties of Lauryl acetate (CAS 112-66-3)

InChI

InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3

InChI Key

VZWGRQBCURJOMT-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCCCCCCOC(C)=O

Molecular Weight¹

228.37

CAS

112-66-3

Other Names

• 1-Dodecanol acetate
• Dodecan-1-ol, acetate
• Dodecan-1-yl acetate
• Dodecanol acetate
• Dodecanyl acetate
• Dodecyl alcohol, acetate
• NSC 67366
• acetic acid, dodecyl ester
• dodecyl acetate
• dodecyl ethanoate
• n-Dodecyl acetate
• n-Dodecyl ethanoate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7545		Relay (1.0) Calculated Property
ΔfG°	-243.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-661.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.38	kJ/mol	Joback Calculated Property
ΔvapH°	[79.60; 81.80]	kJ/mol
ΔvapH°	79.60 ± 0.30	kJ/mol	NIST
ΔvapH°	81.80	kJ/mol	NIST
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	4.470		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[1562.00; 1620.00]
Inp	1606.00		NIST
Inp	1596.00		NIST
Inp	1594.00		NIST
Inp	1594.00		NIST
Inp	1591.00		NIST
Inp	1576.00		NIST
Inp	1589.60		NIST
Inp	Outlier 1562.00		NIST
Inp	1587.00		NIST
Inp	1620.00		NIST
Inp	1611.00		NIST
Inp	1609.00		NIST
Inp	1610.00		NIST
Inp	1595.00		NIST
Inp	1608.50		NIST
Inp	1605.90		NIST
Inp	1610.00		NIST
Inp	1606.00		NIST
Inp	1585.00		NIST
Inp	1597.00		NIST
Inp	1605.90		NIST
Inp	1592.00		NIST
Inp	1606.00		NIST
Inp	1580.00		NIST
Inp	1613.00		NIST
Inp	1606.00		NIST
Inp	1606.00		NIST
Inp	1592.00		NIST
Inp	1588.00		NIST
Inp	1606.00		NIST
Inp	1592.00		NIST
Inp	1576.00		NIST
Ip	[1868.00; 1900.00]
Ip	1876.00		NIST
Ip	1896.00		NIST
Ip	1898.00		NIST
Ip	1900.00		NIST
Ip	Outlier 1868.00		NIST
Ip	1880.00		NIST
Ip	1895.00		NIST
Ip	1880.00		NIST
Ip	1882.00		NIST
Ip	1884.00		NIST
Ip	1883.00		NIST
Ip	1893.00		NIST
Ip	1893.00		NIST
Ip	1880.00		NIST
Ip	1893.00		NIST
Ip	1893.00		NIST
Ip	1891.00		NIST
Ip	1882.00		NIST
Ip	1880.00		NIST
Tboil	538.20	K	NIST
Tc	716.28	K	Relay (1.0) Calculated Property
Tfus	274.45	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.848	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	70.50	kJ/mol	469.00	NIST
Pvap	[8.00e-05; 5.97e-03]	kPa	[288.90; 333.40]
Pvap	8.00e-05	kPa	288.90	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.10e-04	kPa	291.90	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.70e-04	kPa	296.00	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.40e-04	kPa	299.00	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	3.70e-04	kPa	303.10	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	4.90e-04	kPa	306.10	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	6.70e-04	kPa	309.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	9.00e-04	kPa	312.10	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.19e-03	kPa	315.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.63e-03	kPa	318.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.08e-03	kPa	321.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.80e-03	kPa	324.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	3.56e-03	kPa	327.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	4.56e-03	kPa	330.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	5.97e-03	kPa	333.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.81; 749.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.55710e+01
Coefficient B			1.27904e+00
Coefficient C			-6.43200e-04
Coefficient D			9.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.81	J/mol×K	273.00	Calculated Property
Cp,gas	391.92	J/mol×K	353.78	Calculated Property
Cp,gas	457.99	J/mol×K	434.56	Calculated Property
Cp,gas	517.34	J/mol×K	515.33	Calculated Property
Cp,gas	570.28	J/mol×K	596.11	Calculated Property
Cp,gas	617.12	J/mol×K	676.89	Calculated Property
Cp,gas	658.18	J/mol×K	757.67	Calculated Property
Cp,gas	693.75	J/mol×K	838.44	Calculated Property
Cp,gas	724.16	J/mol×K	919.22	Calculated Property
Cp,gas	749.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066732; 0.0002063]	Pa×s	[274.45; 520.52]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.23640e+01
Coefficient B			2.01840e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			274.45
Temperature range, max.			520.52
η	0.0066732	Pa×s	274.45	Calculated Property
η	0.0034274	Pa×s	301.79	Calculated Property
η	0.0019664	Pa×s	329.13	Calculated Property
η	0.0012286	Pa×s	356.47	Calculated Property
η	0.0008208	Pa×s	383.82	Calculated Property
η	0.0005786	Pa×s	411.16	Calculated Property
η	0.0004260	Pa×s	438.50	Calculated Property
η	0.0003252	Pa×s	465.84	Calculated Property
η	0.0002557	Pa×s	493.18	Calculated Property
η	0.0002063	Pa×s	520.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[436.02; 567.22]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.81806e+01
Coefficient B			-6.01367e+03
Coefficient C			-9.99300e+01
Temperature range, min.			436.02
Temperature range, max.			567.22
Pvap	1.33	kPa	436.02	Calculated Property
Pvap	2.81	kPa	450.60	Calculated Property
Pvap	5.56	kPa	465.18	Calculated Property
Pvap	10.46	kPa	479.75	Calculated Property
Pvap	18.78	kPa	494.33	Calculated Property
Pvap	32.35	kPa	508.91	Calculated Property
Pvap	53.66	kPa	523.49	Calculated Property
Pvap	86.06	kPa	538.06	Calculated Property
Pvap	133.88	kPa	552.64	Calculated Property
Pvap	202.63	kPa	567.22	Calculated Property

Similar Compounds

Find more compounds similar to Lauryl acetate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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